学士学位 北京大学化学系 导师：刘忠范院士、朱涛教授 博士学位 美国普林斯顿大学化学系 导师：Herschel Rabitz 教授 博士后 中国科学技术大学微尺度物质科学国家实验室、香港科技大学 导师：杨金龙教授、严以京教授

理论化学物理：分子量子过程动力学及其调控 应用量子化学：酶催化反应机理、有机半导体电子转移过程 分子模拟：软物质的耗散粒子动力学模拟

11 L. J. Fu, X. L. Mu, B. Q. Li* J. Mol. Model. 24, 91 (2018) "Reaction mechanism of organoselenium-catalyzed syn-dichlorination of alkenes: a DFT study" 10 C. L. Wang, X. K. Yang, E. D. Wang, B. Q. Li* Int. J. Quantum Chem. 113, 1409–1415 (2013) "Quantum chemistry studies of adenosine 2503 methylation by S-adenosylmethionine-dependent enzymes" 9 C. L. Wang, R. X. Zhu, H. N. Sun, B. Q. Li* J. Mol. Model. 19, 705-714 (2013) "Quantum chemistry studies of the catalysis mechanism differences between the two isoforms of glutamic acid decarboxylase" 8 崔鹏, 张冬菊, 刘永军, 苑世领, 李柏青, 高军, 刘成卜* 中国科学:化学 41, 748-55 (2011) 紧束缚模型方法及其在DNA分子中的应用 7 H. N. Sun, B. Q. Li*, C. Q. Zhang*, C. L. Wang, C. B. Liu J. Theor. Comput. Chem. 10, 731-745 (2011) "Ordered microphases of symmetric diblock copolymer in selective solvent: dissipative particle dynamics simulation and radial distribution function analysis" 6 P. Han, R.-X. Xu, B. Q. Li, J. Xu, P. Cui, Y. Mo, Y. J. Yan* J. Phys. Chem. B 110, 11438-43 (2006) "Kinetics and thermodynamics of electron transfer in Debye solvents: an analytical and nonperturbative reduced density matrix theory" 5 B. Q. Li, W. Zhu and H. Rabitz*, J. Chem. Phys. 124, 024101 (2006) "Optimal dynamic discrimination of similar quantum systems in the presence of decoherence" 4 M. Y. Hayes, B. Q. Li and H. Rabitz*, J. Phys. Chem. A 110, 264-272 (2006) "Estimation of molecular properties by high dimensional model representation" 3 B. Q. Li, H. Rabitz* and J. P. Wolf, J. Chem. Phys. 122, 154103 (2005) "Optimal dynamic discrimination of similar quantum systems with time series data" 2 G. Turinici, V. Ramakrishna, B. Q. Li and H. Rabitz*, J. Phys. A 37, 273-282 (2004) "Optimal discrimination of multiple quantum systems: controllability analysis" 1 B. Q. Li, G. Turinici, V. Ramakrishna and H. Rabitz*, J. Phys. Chem. B, 106, 8125-8131 (2002) "Optimal dynamic discrimination of similar molecules through quantum learning control"